N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C17H17N5O3S — CID 20886557

IUPACN-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)c1
InChIInChI=1S/C17H17N5O3S/c1-11-3-2-4-12(9-11)19-14(23)13-10-18-16-22(15(13)24)20-17(26-16)21-5-7-25-8-6-21/h2-4,9-10H,5-8H2,1H3,(H,19,23)
InChIKeyCSXLFXMDICVKBI-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.55
Rot. Bonds3

About N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20886557) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20886557
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cccc(NC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)c1
InChIInChI=1S/C17H17N5O3S/c1-11-3-2-4-12(9-11)19-14(23)13-10-18-16-22(15(13)24)20-17(26-16)21-5-7-25-8-6-21/h2-4,9-10H,5-8H2,1H3,(H,19,23)
InChIKeyCSXLFXMDICVKBI-UHFFFAOYSA-N
XLogP1.55
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxyphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942807
N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942768
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
2-morpholin-4-yl-5-oxo-N-(2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942810
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
3-methyl-N-[3-(2-morpholin-4-ylethoxy)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46969787
N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419
N-[2-(furan-2-yl)ethyl]-5-oxo-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942876
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20886557) is N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cccc(NC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CSXLFXMDICVKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11-3-2-4-12(9-11)19-14(23)13-10-18-16-22(15(13)24)20-17(26-16)21-5-7-25-8-6-21/h2-4,9-10H,5-8H2,1H3,(H,19,23).
What are the key properties of N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20886557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).